CAS 73842-99-6 3-[(Tert-butyldimethylsilyl)oxy]propan-1-ol (HCID 4077791)

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Basic information

CAS: 73842-99-6
Standard SMILES: CC(C)(C)[Si](C)(C)OCCCO
InChIKey: NETUFVYVNJNFMU-UHFFFAOYSA-N
Molecular formula: C9H22O2Si
Average molar mass: 190.35 g/mol
Monoisotopic mass: 190.13890648

Names & identifiers

Preferred name: 3-[(Tert-butyldimethylsilyl)oxy]propan-1-ol
IUPAC: 3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
English name: 3-(t-Butyldimethylsiloxy)propanol
Molecular formula: C9H22O2Si
Molecular weight: 190.36

Names & synonyms

3-((tert-Butyldimethylsilyl)oxy)propan-1-ol3-[(tert-butyldimethylsilyl)oxy]propan-1-olRefChem:488993834-259-373842-99-63-[(TERT-BUTYLDIMETHYLSILYL)OXY]-1-PROPANOL3-(t-Butyldimethylsiloxy)propanol3-((tert-Butyldimethylsilyl)oxy)-propanolMFCD001879683-[tert-butyl(dimethyl)silyl]oxypropan-1-ol3-(tert-Butyldimethylsilanyloxy)propan-1-ol3-(T-Butyldimethylsiloxy)propan-1-ol

Show more names

DK879DKSI028AKOS 90371DKFELEX0233TBDMS-Pr-OH3-(t-butyldimethylsilyloxy)propanol

s250893-{[tert-butyl(dimethyl)silyl]oxy}propan-1-ol3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propanol3-[[tert-Butyl(dimethyl)silyl]oxy]-1-propanol3-{[tert-butyl(dimethyl)silyl]oxy}-1-propanol1-Propanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-(tert-Butyldimethylsiloxy)-1-propanolSCHEMBL571057

Database identifiers

CAS: 73842-99-6
PubChem CID

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 110 °C6 · 110 °C6 mm Hg(lit.)
Density: 0.892 g/mL · 0.892 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4350(lit.)
Flash point: 199 °F · 199 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Dichloromethane, Ether, Ethyl Acetate, Hexane, Methanol
form: Clear Colourless Liquid
pka: 14.87 · 14.87±0.10(Predicted)
Specific Gravity: 0.892 · 0.892
color: Colorless to Almost colorless
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
InChI: InChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3
InChIKey: NETUFVYVNJNFMU-UHFFFAOYSA-N
SMILES: C(O)CCO[Si](C(C)(C)C)(C)C
UNSPSC Code: 12352100 · 12352100

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: No
hs_code: 2931900090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Applications · 2 items

Uses3-(T-butyldimethylsiloxy)propanol is primarily used as a protective group in organic synthesis, specifically for protecting alcohol or phenol functional groups. It can also act as a coupling agent, adhesion promoter, and forms periodic mesoporous silicas.

General Description3-((tert-Butyldimethylsilyl)oxy)-propanol (3-[(tert-butyldimethylsilyl)oxy]-1-propanol) is formed as an intermediate during the synthesis of 3-(tert-butyldimethylsilyl)oxy]propanal.